Structure of PDB 6fop Chain A Binding Site BS03

Receptor Information
>6fop Chain A (length=717) Species: 203119 (Acetivibrio thermocellus ATCC 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYYREGTGSYTVVLPPGAKVPQAEIYKTSNLQGAVPTNSWESSILWNQYS
LPIYAHPLTFKFKAEGIEVGKPALGGSGIAYFGAHKNDFTVGHSSVYTFP
DARADKISDFAVDAVMASGSGSIKATLMKGSPYAYFVFTGGNPRIDFSGT
PTVFYGDSGSQCLGVTINGVNYGLFAPSGSKWQGIGTGTITCILPAGKNY
FSIAVLPDNTVSTLTYYKDYAYCFVTDTKVEWSYNETESTLTTTFTAEVS
VKEGTNKGTILALYPHQWRNNPHILPLPYTYSTLRGIMKTIQGTSFKTVY
RYHGILPNLPDKGTYDREALNRYINELALQADAPVAVDTYWFGKHLGKLS
CALPIAEQLGNISAKDRFISFMKSSLEDWFTAKEGETAKLFYYDSNWGTL
IGYPSSYGSDEELNDHHFHYGYFLHAAAQIALRDPQWASRDNWGAMVELL
IKDIANWDRNDTRFPFLRNFDPYEGHSWASGHAGFADGNNQASSSEAINA
WQAIILWGEATGNKTIRDLGIYLYTTEVEAVCNYWFDLYKDIFSPSYGHN
YASMVWGGKYCHEIWWNGTNSEKHGINFLPITAASLYLGKDPNYIKQNYE
EMLRECGTSQPPNWKDIQYMYYALYDPAAAKNMWNESIVPEDGESKAHTY
HWICNLDSLGLPDFSVTADTPLYSVFNKNNIRTYVVYNASSSAKKVTFSD
GKVMTVGPHSMAVSTGS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6fop Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fop Novel insights into the degradation of beta-1,3-glucans by the cellulosome of Clostridium thermocellum revealed by structure and function studies of a family 81 glycoside hydrolase.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D401 E409
Binding residue
(residue number reindexed from 1)		D378 E386
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.39: glucan endo-1,3-beta-D-glucosidase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005509 calcium ion binding
GO:0016151 nickel cation binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0042973 glucan endo-1,3-beta-D-glucosidase activity
GO:0046872 metal ion binding
GO:0052861 endo-1,3(4)-beta-glucanase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0071555 cell wall organization
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6fop, PDBe:6fop, PDBj:6fop
PDBsum6fop
PubMed29870811
UniProtA3DD66|ENG1_ACET2 Glucan endo-1,3-beta-D-glucosidase (Gene Name=Lam81A)

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